N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine

C51H36N2O — CID 126656552

IUPACN-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)43-22-12-9-19-38(43)39-30-29-37(31-44(39)51)52(36-27-25-34(26-28-36)33-15-5-3-6-16-33)46-32-42-40-20-11-14-24-47(40)54-50(42)49-48(46)41-21-10-13-23-45(41)53(49)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyNBYRMPJBJVPPIX-UHFFFAOYSA-N
MW692.86 g/mol
LogP14.13
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine

N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine (PubChem CID 126656552) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
PubChem CID126656552
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)43-22-12-9-19-38(43)39-30-29-37(31-44(39)51)52(36-27-25-34(26-28-36)33-15-5-3-6-16-33)46-32-42-40-20-11-14-24-47(40)54-50(42)49-48(46)41-21-10-13-23-45(41)53(49)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyNBYRMPJBJVPPIX-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-12-(6-methylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
CID 156510159
4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
CID 134252341
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140919383
N-(9,9-dimethylfluoren-2-yl)-2-(2-phenylcarbazol-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521417
9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 134252353
N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 160737128
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine (CID 126656552) is N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine?
The InChIKey is NBYRMPJBJVPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)43-22-12-9-19-38(43)39-30-29-37(31-44(39)51)52(36-27-25-34(26-28-36)33-15-5-3-6-16-33)46-32-42-40-20-11-14-24-47(40)54-50(42)49-48(46)41-21-10-13-23-45(41)53(49)35-17-7-4-8-18-35/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine?
N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine has a molecular weight of 692.86 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine is sourced from PubChem (CID 126656552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).