9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C55H40N2 — CID 177101254

IUPAC9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)cc3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)49-22-11-9-19-46(49)47-34-33-44(36-50(47)55)56(41-27-24-38(25-28-41)37-14-5-3-6-15-37)42-29-31-43(32-30-42)57-51-23-12-10-20-48(51)54-52(57)35-26-40-18-13-21-45(53(40)54)39-16-7-4-8-17-39/h3-36H,1-2H3
InChIKeyGEOWIXDLNYKBPK-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177101254) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177101254
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)cc3)cc21
InChIInChI=1S/C55H40N2/c1-55(2)49-22-11-9-19-46(49)47-34-33-44(36-50(47)55)56(41-27-24-38(25-28-41)37-14-5-3-6-15-37)42-29-31-43(32-30-42)57-51-23-12-10-20-48(51)54-52(57)35-26-40-18-13-21-45(53(40)54)39-16-7-4-8-17-39/h3-36H,1-2H3
InChIKeyGEOWIXDLNYKBPK-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[6-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)naphthalen-2-yl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177100989
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]carbazol-3-amine
CID 90148439
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90148448
9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100908
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-[4-[3-(9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-9-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164845717
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 90128462

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 177101254) is 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GEOWIXDLNYKBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)49-22-11-9-19-46(49)47-34-33-44(36-50(47)55)56(41-27-24-38(25-28-41)37-14-5-3-6-15-37)42-29-31-43(32-30-42)57-51-23-12-10-20-48(51)54-52(57)35-26-40-18-13-21-45(53(40)54)39-16-7-4-8-17-39/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177101254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).