N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline

C57H42N2 — CID 145355018

IUPACN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)C2=C(C(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cc4)cc3)=CCC2)c2ccccc21
InChIInChI=1S/C57H42N2/c1-57(2)50-19-9-6-16-48(50)54-44(18-12-20-51(54)57)39-25-31-42(32-26-39)58(41-29-23-38(24-30-41)37-13-4-3-5-14-37)43-33-27-40(28-34-43)45-35-36-47-46-15-7-10-21-52(46)59-53-22-11-8-17-49(53)55(45)56(47)59/h3-11,13-19,21-36H,12,20H2,1-2H3
InChIKeyXOPQWJUQVSLPKX-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds6

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline (PubChem CID 145355018) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline
PubChem CID145355018
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)C2=C(C(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cc4)cc3)=CCC2)c2ccccc21
InChIInChI=1S/C57H42N2/c1-57(2)50-19-9-6-16-48(50)54-44(18-12-20-51(54)57)39-25-31-42(32-26-39)58(41-29-23-38(24-30-41)37-13-4-3-5-14-37)43-33-27-40(28-34-43)45-35-36-47-46-15-7-10-21-52(46)59-53-22-11-8-17-49(53)55(45)56(47)59/h3-11,13-19,21-36H,12,20H2,1-2H3
InChIKeyXOPQWJUQVSLPKX-UHFFFAOYSA-N
XLogP15.56
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-(8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-yl)phenyl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170281214
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170281051
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
4-(3,4-dihydrodibenzothiophen-1-yl)-N-[4-(10-ethenyl-9-methyl-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane
CID 145354935
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaen-5-amine
CID 164839349
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
N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135140257
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2,3-diphenylpyrrolo[1,2-f]phenanthridin-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134394229
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-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-amine
CID 118187004
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-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-amine
CID 118186998

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline (CID 145355018) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline is CC1(C)C2=C(C(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c7ccccc7n7c8ccccc8c5c67)cc4)cc3)=CCC2)c2ccccc21.
What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is XOPQWJUQVSLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)50-19-9-6-16-48(50)54-44(18-12-20-51(54)57)39-25-31-42(32-26-39)58(41-29-23-38(24-30-41)37-13-4-3-5-14-37)43-33-27-40(28-34-43)45-35-36-47-46-15-7-10-21-52(46)59-53-22-11-8-17-49(53)55(45)56(47)59/h3-11,13-19,21-36H,12,20H2,1-2H3.
What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline?
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 754.98 g/mol, XLogP of 15.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)phenyl]-4-(9,9-dimethyl-1,2-dihydrofluoren-4-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145355018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).