N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C69H47N3 — CID 90060969

IUPACN-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c6ccn(-c7ccccc7)c6ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C69H47N3/c1-6-18-48(19-7-1)49-30-35-56(36-31-49)71(58-39-40-60-59-28-16-17-29-63(59)69(64(60)47-58,52-20-8-2-9-21-52)53-22-10-3-11-23-53)57-37-32-50(33-38-57)51-34-41-66-62(46-51)68-61-44-45-70(54-24-12-4-13-25-54)65(61)42-43-67(68)72(66)55-26-14-5-15-27-55/h1-47H
InChIKeyGDCXOAAIBLHXJM-UHFFFAOYSA-N
MW918.16 g/mol
LogP17.89
Rot. Bonds9

About N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 90060969) has the molecular formula C69H47N3 and a molecular weight of 918.16 g/mol. Its IUPAC name is N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID90060969
Molecular FormulaC69H47N3
Molecular Weight918.16 g/mol
Exact Mass917.38
IUPAC NameN-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c6ccn(-c7ccccc7)c6ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C69H47N3/c1-6-18-48(19-7-1)49-30-35-56(36-31-49)71(58-39-40-60-59-28-16-17-29-63(59)69(64(60)47-58,52-20-8-2-9-21-52)53-22-10-3-11-23-53)57-37-32-50(33-38-57)51-34-41-66-62(46-51)68-61-44-45-70(54-24-12-4-13-25-54)65(61)42-43-67(68)72(66)55-26-14-5-15-27-55/h1-47H
InChIKeyGDCXOAAIBLHXJM-UHFFFAOYSA-N
XLogP17.89
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.16
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-diphenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118282644
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
CID 118489585
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole
CID 161056569
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334138
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 90060969) is N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c6ccn(-c7ccccc7)c6ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GDCXOAAIBLHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3/c1-6-18-48(19-7-1)49-30-35-56(36-31-49)71(58-39-40-60-59-28-16-17-29-63(59)69(64(60)47-58,52-20-8-2-9-21-52)53-22-10-3-11-23-53)57-37-32-50(33-38-57)51-34-41-66-62(46-51)68-61-44-45-70(54-24-12-4-13-25-54)65(61)42-43-67(68)72(66)55-26-14-5-15-27-55/h1-47H.
What are the key properties of N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 918.16 g/mol, XLogP of 17.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90060969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).