N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine

C53H42N2 — CID 166686450

IUPACN-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine
SMILESC1=CC2=C(CC1)c1ccc(N(c3ccc4c(c3)CCC=C4)c3ccc4c5c(n(-c6ccccc6)c4c3)CCC=C5)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H42N2/c1-4-18-39(19-5-1)53(40-20-6-2-7-21-40)49-26-14-12-24-45(49)46-32-30-43(35-50(46)53)54(42-29-28-37-16-10-11-17-38(37)34-42)44-31-33-48-47-25-13-15-27-51(47)55(52(48)36-44)41-22-8-3-9-23-41/h1-10,13-14,16,18-23,25-26,28-36H,11-12,15,17,24,27H2
InChIKeyPZRVFGMAZXVNDJ-UHFFFAOYSA-N
MW706.93 g/mol
LogP13.47
Rot. Bonds6

About N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine

N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine (PubChem CID 166686450) has the molecular formula C53H42N2 and a molecular weight of 706.93 g/mol. Its IUPAC name is N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine
PubChem CID166686450
Molecular FormulaC53H42N2
Molecular Weight706.93 g/mol
Exact Mass706.33
IUPAC NameN-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine
SMILESC1=CC2=C(CC1)c1ccc(N(c3ccc4c(c3)CCC=C4)c3ccc4c5c(n(-c6ccccc6)c4c3)CCC=C5)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H42N2/c1-4-18-39(19-5-1)53(40-20-6-2-7-21-40)49-26-14-12-24-45(49)46-32-30-43(35-50(46)53)54(42-29-28-37-16-10-11-17-38(37)34-42)44-31-33-48-47-25-13-15-27-51(47)55(52(48)36-44)41-22-8-3-9-23-41/h1-10,13-14,16,18-23,25-26,28-36H,11-12,15,17,24,27H2
InChIKeyPZRVFGMAZXVNDJ-UHFFFAOYSA-N
XLogP13.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
N,7-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3,4-dihydrobenzo[g]carbazol-9-amine
CID 145362267
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
CID 89098360
CID 89098360
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 170096450
(7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane
CID 145452364
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
CID 70919345
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine?
The IUPAC name of N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine (CID 166686450) is N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine.
What is the SMILES notation for N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine?
The canonical SMILES for N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine is C1=CC2=C(CC1)c1ccc(N(c3ccc4c(c3)CCC=C4)c3ccc4c5c(n(-c6ccccc6)c4c3)CCC=C5)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine?
The InChIKey is PZRVFGMAZXVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2/c1-4-18-39(19-5-1)53(40-20-6-2-7-21-40)49-26-14-12-24-45(49)46-32-30-43(35-50(46)53)54(42-29-28-37-16-10-11-17-38(37)34-42)44-31-33-48-47-25-13-15-27-51(47)55(52(48)36-44)41-22-8-3-9-23-41/h1-10,13-14,16,18-23,25-26,28-36H,11-12,15,17,24,27H2.
What are the key properties of N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine?
N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine has a molecular weight of 706.93 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine is sourced from PubChem (CID 166686450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).