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

C51H36N2O — CID 134252341

IUPAC4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)44-22-12-9-19-38(44)39-30-25-33(31-45(39)51)42-32-43-40-20-11-14-24-47(40)54-50(43)49-48(42)41-21-10-13-23-46(41)53(49)37-28-26-36(27-29-37)52(34-15-5-3-6-16-34)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyDZWUXMLXJKKLNP-UHFFFAOYSA-N
MW692.86 g/mol
LogP14.13
Rot. Bonds5

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

4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline (PubChem CID 134252341) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
PubChem CID134252341
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC Name4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)44-22-12-9-19-38(44)39-30-25-33(31-45(39)51)42-32-43-40-20-11-14-24-47(40)54-50(43)49-48(42)41-21-10-13-23-46(41)53(49)37-28-26-36(27-29-37)52(34-15-5-3-6-16-34)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyDZWUXMLXJKKLNP-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

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)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656552
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
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
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-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467
9-(9,9-dimethylfluoren-2-yl)-21-phenyl-18-oxa-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635053
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140919383
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 162152453
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684

Frequently Asked Questions

What is the IUPAC name of 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline (CID 134252341) is 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5oc4c4c3c3ccccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline?
The InChIKey is DZWUXMLXJKKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)44-22-12-9-19-38(44)39-30-25-33(31-45(39)51)42-32-43-40-20-11-14-24-47(40)54-50(43)49-48(42)41-21-10-13-23-46(41)53(49)37-28-26-36(27-29-37)52(34-15-5-3-6-16-34)35-17-7-4-8-18-35/h3-32H,1-2H3.
What are the key properties of 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline?
4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline 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 4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline is sourced from PubChem (CID 134252341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).