11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine

C61H45N3 — CID 154965910

IUPAC11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4c4c6ccccc6ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C61H45N3/c1-61(2)55-30-18-17-29-52(55)53-37-36-49(40-56(53)61)62(44-20-7-3-8-21-44)48-34-31-43(32-35-48)54-39-50(63(45-22-9-4-10-23-45)46-24-11-5-12-25-46)41-58-60(54)59-51-28-16-15-19-42(51)33-38-57(59)64(58)47-26-13-6-14-27-47/h3-41H,1-2H3
InChIKeyFJWSQMNPELPJMG-UHFFFAOYSA-N
MW820.05 g/mol
LogP16.85
Rot. Bonds8

About 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine

11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine (PubChem CID 154965910) has the molecular formula C61H45N3 and a molecular weight of 820.05 g/mol. Its IUPAC name is 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine.

Molecular Properties

Compound Name11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine
PubChem CID154965910
Molecular FormulaC61H45N3
Molecular Weight820.05 g/mol
Exact Mass819.36
IUPAC Name11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4c4c6ccccc6ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C61H45N3/c1-61(2)55-30-18-17-29-52(55)53-37-36-49(40-56(53)61)62(44-20-7-3-8-21-44)48-34-31-43(32-35-48)54-39-50(63(45-22-9-4-10-23-45)46-24-11-5-12-25-46)41-58-60(54)59-51-28-16-15-19-42(51)33-38-57(59)64(58)47-26-13-6-14-27-47/h3-41H,1-2H3
InChIKeyFJWSQMNPELPJMG-UHFFFAOYSA-N
XLogP16.85
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine
CID 161187599
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
CID 154965731
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,9-triphenylcarbazole-2,4-diamine;4-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-N,2-N,4-N,9-tetraphenylcarbazole-2,4-diamine;4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,9-triphenylcarbazol-2-amine
CID 161246541
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-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-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
CID 70853892
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
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

Frequently Asked Questions

What is the IUPAC name of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine?
The IUPAC name of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine (CID 154965910) is 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine.
What is the SMILES notation for 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine?
The canonical SMILES for 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(N(c5ccccc5)c5ccccc5)cc5c4c4c6ccccc6ccc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine?
The InChIKey is FJWSQMNPELPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3/c1-61(2)55-30-18-17-29-52(55)53-37-36-49(40-56(53)61)62(44-20-7-3-8-21-44)48-34-31-43(32-35-48)54-39-50(63(45-22-9-4-10-23-45)46-24-11-5-12-25-46)41-58-60(54)59-51-28-16-15-19-42(51)33-38-57(59)64(58)47-26-13-6-14-27-47/h3-41H,1-2H3.
What are the key properties of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine?
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine has a molecular weight of 820.05 g/mol, XLogP of 16.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine is sourced from PubChem (CID 154965910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).