7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine

C57H40N2 — CID 145354292

IUPAC7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine
SMILESCc1ccccc1-c1c(C)cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1cc(-c3cccc4c3c3cccc5c6ccccc6n4c53)ccc1-2
InChIInChI=1S/C57H40N2/c1-36-13-6-7-17-45(36)55-37(2)14-10-23-53(55)58(43-28-25-39(26-29-43)38-15-4-3-5-16-38)44-30-32-47-42(35-44)34-41-33-40(27-31-46(41)47)48-19-12-24-54-56(48)51-21-11-20-50-49-18-8-9-22-52(49)59(54)57(50)51/h3-33,35H,34H2,1-2H3
InChIKeyVIZZCGBVESFIBO-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.50
Rot. Bonds6

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine (PubChem CID 145354292) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine.

Molecular Properties

Compound Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine
PubChem CID145354292
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine
SMILESCc1ccccc1-c1c(C)cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1cc(-c3cccc4c3c3cccc5c6ccccc6n4c53)ccc1-2
InChIInChI=1S/C57H40N2/c1-36-13-6-7-17-45(36)55-37(2)14-10-23-53(55)58(43-28-25-39(26-29-43)38-15-4-3-5-16-38)44-30-32-47-42(35-44)34-41-33-40(27-31-46(41)47)48-19-12-24-54-56(48)51-21-11-20-50-49-18-8-9-22-52(49)59(54)57(50)51/h3-33,35H,34H2,1-2H3
InChIKeyVIZZCGBVESFIBO-UHFFFAOYSA-N
XLogP15.50
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354326
14-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methylphenyl]-3-methylphenyl]-5-[3-methyl-4-(2-methylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 134534645
4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-3-methyl-N-(4-phenylphenyl)aniline
CID 145354452
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737595
N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354496
10-N,25-N-diphenyl-10-N,25-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138746120
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
10-N,25-N-diphenyl-10-N,25-N-bis(3,4,5-trimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138745149
N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 138745135
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737588
N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
CID 143813917

Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine (CID 145354292) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine.
What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine is Cc1ccccc1-c1c(C)cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1cc(-c3cccc4c3c3cccc5c6ccccc6n4c53)ccc1-2.
What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
The InChIKey is VIZZCGBVESFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-36-13-6-7-17-45(36)55-37(2)14-10-23-53(55)58(43-28-25-39(26-29-43)38-15-4-3-5-16-38)44-30-32-47-42(35-44)34-41-33-40(27-31-46(41)47)48-19-12-24-54-56(48)51-21-11-20-50-49-18-8-9-22-52(49)59(54)57(50)51/h3-33,35H,34H2,1-2H3.
What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine has a molecular weight of 752.96 g/mol, XLogP of 15.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine is sourced from PubChem (CID 145354292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).