(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

C59H45N3 — CID 170780272

IUPAC(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESc1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4cccc5c4[C@]4(CCc6cccc(N(c7ccccc7)c7ccccc7)c64)CC5)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C59H45N3/c1-6-19-42(20-7-1)50-31-18-32-52-56(50)51-36-35-49(41-55(51)62(52)48-29-14-5-15-30-48)61(47-27-12-4-13-28-47)54-34-17-22-44-38-40-59(58(44)54)39-37-43-21-16-33-53(57(43)59)60(45-23-8-2-9-24-45)46-25-10-3-11-26-46/h1-36,41H,37-40H2/t59-/m1/s1
InChIKeyVYKPRUNDGMTVSV-OBEXFZABSA-N
MW796.03 g/mol
LogP15.57
Rot. Bonds8

About (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (PubChem CID 170780272) has the molecular formula C59H45N3 and a molecular weight of 796.03 g/mol. Its IUPAC name is (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.

Molecular Properties

Compound Name(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
PubChem CID170780272
Molecular FormulaC59H45N3
Molecular Weight796.03 g/mol
Exact Mass795.36
IUPAC Name(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESc1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4cccc5c4[C@]4(CCc6cccc(N(c7ccccc7)c7ccccc7)c64)CC5)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C59H45N3/c1-6-19-42(20-7-1)50-31-18-32-52-56(50)51-36-35-49(41-55(51)62(52)48-29-14-5-15-30-48)61(47-27-12-4-13-28-47)54-34-17-22-44-38-40-59(58(44)54)39-37-43-21-16-33-53(57(43)59)60(45-23-8-2-9-24-45)46-25-10-3-11-26-46/h1-36,41H,37-40H2/t59-/m1/s1
InChIKeyVYKPRUNDGMTVSV-OBEXFZABSA-N
XLogP15.57
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine with MolForge

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Related Compounds

N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009785
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 169010409
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
CID 170286553
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618

Frequently Asked Questions

What is the IUPAC name of (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The IUPAC name of (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (CID 170780272) is (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.
What is the SMILES notation for (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The canonical SMILES for (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is c1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4cccc5c4[C@]4(CCc6cccc(N(c7ccccc7)c7ccccc7)c64)CC5)cc2n3-c2ccccc2)cc1.
What is the InChIKey of (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The InChIKey is VYKPRUNDGMTVSV-OBEXFZABSA-N. The full InChI is InChI=1S/C59H45N3/c1-6-19-42(20-7-1)50-31-18-32-52-56(50)51-36-35-49(41-55(51)62(52)48-29-14-5-15-30-48)61(47-27-12-4-13-28-47)54-34-17-22-44-38-40-59(58(44)54)39-37-43-21-16-33-53(57(43)59)60(45-23-8-2-9-24-45)46-25-10-3-11-26-46/h1-36,41H,37-40H2/t59-/m1/s1.
What are the key properties of (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine has a molecular weight of 796.03 g/mol, XLogP of 15.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is sourced from PubChem (CID 170780272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).