5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

C56H37N3 — CID 154936409

IUPAC5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cc(N(c6ccccc6)c6ccccc6)ccc53)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C56H37N3/c1-5-19-38(20-6-1)40-35-51(39-21-7-2-8-22-39)57-53(36-40)59-52-34-33-43(58(41-23-9-3-10-24-41)42-25-11-4-12-26-42)37-47(52)54-55(59)46-29-15-18-32-50(46)56(54)48-30-16-13-27-44(48)45-28-14-17-31-49(45)56/h1-37H
InChIKeyBJRNRIUEXDTMCW-UHFFFAOYSA-N
MW751.93 g/mol
LogP14.17
Rot. Bonds6

About 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (PubChem CID 154936409) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.

Molecular Properties

Compound Name5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
PubChem CID154936409
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC Name5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cc(N(c6ccccc6)c6ccccc6)ccc53)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C56H37N3/c1-5-19-38(20-6-1)40-35-51(39-21-7-2-8-22-39)57-53(36-40)59-52-34-33-43(58(41-23-9-3-10-24-41)42-25-11-4-12-26-42)37-47(52)54-55(59)46-29-15-18-32-50(46)56(54)48-30-16-13-27-44(48)45-28-14-17-31-49(45)56/h1-37H
InChIKeyBJRNRIUEXDTMCW-UHFFFAOYSA-N
XLogP14.17
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine with MolForge

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Related Compounds

2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936458
5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile
CID 166751204
4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline
CID 121461490
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 135252863
CID 134551933
CID 134551933
15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163901716
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
3,3-dimethyl-11-(4-naphthalen-2-yl-6-phenyl-2-pyridinyl)-11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 121322472
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153
9-naphthalen-1-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334261
5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 169009697

Frequently Asked Questions

What is the IUPAC name of 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The IUPAC name of 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (CID 154936409) is 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.
What is the SMILES notation for 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The canonical SMILES for 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4c(c5cc(N(c6ccccc6)c6ccccc6)ccc53)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The InChIKey is BJRNRIUEXDTMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-5-19-38(20-6-1)40-35-51(39-21-7-2-8-22-39)57-53(36-40)59-52-34-33-43(58(41-23-9-3-10-24-41)42-25-11-4-12-26-42)37-47(52)54-55(59)46-29-15-18-32-50(46)56(54)48-30-16-13-27-44(48)45-28-14-17-31-49(45)56/h1-37H.
What are the key properties of 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine has a molecular weight of 751.93 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is sourced from PubChem (CID 154936409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).