azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate

C158H160N12O4 — CID 158154434

IUPACazane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate
SMILESC1CCOC1.CC1(C)CCCC1.CN.CNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.CNc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1ccccc1.CNc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4cccn(C)c5ccccc5cc4)ccc2-3)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1.N.N.O.O.O.c1ccccc1
InChIInChI=1S/C68H55N3.C28H24N2.C25H20N2.C19H16N2.C7H14.C6H6.C4H8O.CH5N.2H3N.3H2O/c1-44-22-29-51(30-23-44)70(52-31-35-56-54-33-26-48(40-60(54)67(2,3)62(56)42-52)45-16-14-38-69(6)64-20-12-10-15-46(64)25-24-45)53-32-36-57-55-34-27-49(41-61(55)68(4,5)63(57)43-53)47-28-37-66-59(39-47)58-19-11-13-21-65(58)71(66)50-17-8-7-9-18-50;1-28(2)24-15-18(29-3)13-14-20(24)22-16-23-21-11-7-8-12-26(21)30(27(23)17-25(22)28)19-9-5-4-6-10-19;1-26-20-14-11-18(12-15-20)19-13-16-25-23(17-19)22-9-5-6-10-24(22)27(25)21-7-3-2-4-8-21;1-20-14-11-12-19-17(13-14)16-9-5-6-10-18(16)21(19)15-7-3-2-4-8-15;1-7(2)5-3-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2;;;;;/h7-43H,1-6H3;4-17,29H,1-3H3;2-17,26H,1H3;2-13,20H,1H3;3-6H2,1-2H3;1-6H;1-4H2;2H2,1H3;2*1H3;3*1H2/b25-24-,38-14-,45-16+;;;;;;;;;;;;
InChIKeySZLVCYJIJAOKDG-ZPMUSZATSA-N
MW2291.10 g/mol
LogP39.07
Rot. Bonds13

About azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate

azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate (PubChem CID 158154434) has the molecular formula C158H160N12O4 and a molecular weight of 2291.10 g/mol. Its IUPAC name is azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate.

Molecular Properties

Compound Nameazane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate
PubChem CID158154434
Molecular FormulaC158H160N12O4
Molecular Weight2291.10 g/mol
Exact Mass2289.27
IUPAC Nameazane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate
SMILESC1CCOC1.CC1(C)CCCC1.CN.CNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.CNc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1ccccc1.CNc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4cccn(C)c5ccccc5cc4)ccc2-3)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1.N.N.O.O.O.c1ccccc1
InChIInChI=1S/C68H55N3.C28H24N2.C25H20N2.C19H16N2.C7H14.C6H6.C4H8O.CH5N.2H3N.3H2O/c1-44-22-29-51(30-23-44)70(52-31-35-56-54-33-26-48(40-60(54)67(2,3)62(56)42-52)45-16-14-38-69(6)64-20-12-10-15-46(64)25-24-45)53-32-36-57-55-34-27-49(41-61(55)68(4,5)63(57)43-53)47-28-37-66-59(39-47)58-19-11-13-21-65(58)71(66)50-17-8-7-9-18-50;1-28(2)24-15-18(29-3)13-14-20(24)22-16-23-21-11-7-8-12-26(21)30(27(23)17-25(22)28)19-9-5-4-6-10-19;1-26-20-14-11-18(12-15-20)19-13-16-25-23(17-19)22-9-5-6-10-24(22)27(25)21-7-3-2-4-8-21;1-20-14-11-12-19-17(13-14)16-9-5-6-10-18(16)21(19)15-7-3-2-4-8-15;1-7(2)5-3-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2;;;;;/h7-43H,1-6H3;4-17,29H,1-3H3;2-17,26H,1H3;2-13,20H,1H3;3-6H2,1-2H3;1-6H;1-4H2;2H2,1H3;2*1H3;3*1H2/b25-24-,38-14-,45-16+;;;;;;;;;;;;
InChIKeySZLVCYJIJAOKDG-ZPMUSZATSA-N
XLogP39.07
TPSA263.73 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.10
LogP ≤ 539.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate with MolForge

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Related Compounds

3-Carbazol-9-yl-9-[2-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-methylphenyl]carbazole;9-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]carbazole;7,7-dimethyl-5-[2-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;9-[2-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]carbazole
CID 159714921
27,27-bis(1H-indol-3-yl)-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 139236776
1-[3-[27-(1H-indol-3-yl)-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-27-yl]indol-1-yl]ethanone
CID 139236777
1-[3-[27-(1-Acetylindol-3-yl)-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-27-yl]indol-1-yl]ethanone
CID 139236778
N-[7-[3-[3,5-bis[3,5-bis[9,9-dimethyl-7-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)fluoren-2-yl]phenyl]phenyl]-5-[9,9-dimethyl-7-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 58050794
N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58151151
N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58151161
9-[4-[4-[3,6-Bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole
CID 58151167
N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline
CID 58151168
N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58151183
N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58151188
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
CID 58151192

Frequently Asked Questions

What is the IUPAC name of azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate?
The IUPAC name of azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate (CID 158154434) is azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate.
What is the SMILES notation for azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate?
The canonical SMILES for azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate is C1CCOC1.CC1(C)CCCC1.CN.CNc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.CNc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1ccccc1.CNc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4cccn(C)c5ccccc5cc4)ccc2-3)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1.N.N.O.O.O.c1ccccc1.
What is the InChIKey of azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate?
The InChIKey is SZLVCYJIJAOKDG-ZPMUSZATSA-N. The full InChI is InChI=1S/C68H55N3.C28H24N2.C25H20N2.C19H16N2.C7H14.C6H6.C4H8O.CH5N.2H3N.3H2O/c1-44-22-29-51(30-23-44)70(52-31-35-56-54-33-26-48(40-60(54)67(2,3)62(56)42-52)45-16-14-38-69(6)64-20-12-10-15-46(64)25-24-45)53-32-36-57-55-34-27-49(41-61(55)68(4,5)63(57)43-53)47-28-37-66-59(39-47)58-19-11-13-21-65(58)71(66)50-17-8-7-9-18-50;1-28(2)24-15-18(29-3)13-14-20(24)22-16-23-21-11-7-8-12-26(21)30(27(23)17-25(22)28)19-9-5-4-6-10-19;1-26-20-14-11-18(12-15-20)19-13-16-25-23(17-19)22-9-5-6-10-24(22)27(25)21-7-3-2-4-8-21;1-20-14-11-12-19-17(13-14)16-9-5-6-10-18(16)21(19)15-7-3-2-4-8-15;1-7(2)5-3-4-6-7;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2;;;;;/h7-43H,1-6H3;4-17,29H,1-3H3;2-17,26H,1H3;2-13,20H,1H3;3-6H2,1-2H3;1-6H;1-4H2;2H2,1H3;2*1H3;3*1H2/b25-24-,38-14-,45-16+;;;;;;;;;;;;.
What are the key properties of azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate?
azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate has a molecular weight of 2291.10 g/mol, XLogP of 39.07, 13 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene;1,1-dimethylcyclopentane;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(1-methyl-1-benzazonin-5-yl)-N-(4-methylphenyl)fluoren-2-amine;methanamine;N-methyl-9-phenylcarbazol-3-amine;N-methyl-4-(9-phenylcarbazol-3-yl)aniline;oxolane;N,7,7-trimethyl-5-phenylindeno[2,1-b]carbazol-9-amine;trihydrate is sourced from PubChem (CID 158154434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).