3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline

C65H46N2 — CID 166660203

IUPAC3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6)c5)cccc43)c21
InChIInChI=1S/C65H46N2/c1-65(2)59-25-10-8-21-56(59)57-24-14-28-62(64(57)65)67-60-26-11-9-22-58(60)63-55(23-13-27-61(63)67)48-18-12-19-52(42-48)66(50-36-31-44(32-37-50)43-15-4-3-5-16-43)51-38-33-45(34-39-51)47-35-40-54-49(41-47)30-29-46-17-6-7-20-53(46)54/h3-42H,1-2H3
InChIKeyDJIQDOJUZHYIPT-UHFFFAOYSA-N
MW855.10 g/mol
LogP17.87
Rot. Bonds7

About 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 166660203) has the molecular formula C65H46N2 and a molecular weight of 855.10 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID166660203
Molecular FormulaC65H46N2
Molecular Weight855.10 g/mol
Exact Mass854.37
IUPAC Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6)c5)cccc43)c21
InChIInChI=1S/C65H46N2/c1-65(2)59-25-10-8-21-56(59)57-24-14-28-62(64(57)65)67-60-26-11-9-22-58(60)63-55(23-13-27-61(63)67)48-18-12-19-52(42-48)66(50-36-31-44(32-37-50)43-15-4-3-5-16-43)51-38-33-45(34-39-51)47-35-40-54-49(41-47)30-29-46-17-6-7-20-53(46)54/h3-42H,1-2H3
InChIKeyDJIQDOJUZHYIPT-UHFFFAOYSA-N
XLogP17.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.10
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660384
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(6-methylcyclohexa-2,4-dien-1-yl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166660469
3-(9-phenanthren-2-ylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660209
3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660105
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 167322421
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100908

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline (CID 166660203) is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4c(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6)c5)cccc43)c21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is DJIQDOJUZHYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2/c1-65(2)59-25-10-8-21-56(59)57-24-14-28-62(64(57)65)67-60-26-11-9-22-58(60)63-55(23-13-27-61(63)67)48-18-12-19-52(42-48)66(50-36-31-44(32-37-50)43-15-4-3-5-16-43)51-38-33-45(34-39-51)47-35-40-54-49(41-47)30-29-46-17-6-7-20-53(46)54/h3-42H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline?
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 855.10 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-4-yl]-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166660203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).