N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C56H44N2 — CID 148917244

IUPACN-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc3n4-c3ccccc3)ccc2C2(C)C=CC=CC12
InChIInChI=1S/C56H44N2/c1-55(2)50-37-42(26-31-49(50)56(3)34-13-12-23-54(55)56)41-28-33-53-48(36-41)47-35-40(27-32-52(47)58(53)44-19-8-5-9-20-44)38-24-29-45(30-25-38)57(43-17-6-4-7-18-43)51-22-14-16-39-15-10-11-21-46(39)51/h4-37,54H,1-3H3
InChIKeyPJUQBNUTVIQIEA-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.03
Rot. Bonds6

About N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 148917244) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID148917244
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc3n4-c3ccccc3)ccc2C2(C)C=CC=CC12
InChIInChI=1S/C56H44N2/c1-55(2)50-37-42(26-31-49(50)56(3)34-13-12-23-54(55)56)41-28-33-53-48(36-41)47-35-40(27-32-52(47)58(53)44-19-8-5-9-20-44)38-24-29-45(30-25-38)57(43-17-6-4-7-18-43)51-22-14-16-39-15-10-11-21-46(39)51/h4-37,54H,1-3H3
InChIKeyPJUQBNUTVIQIEA-UHFFFAOYSA-N
XLogP15.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 159946266
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038321
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 129293021
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 148917244) is N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)ccc3n4-c3ccccc3)ccc2C2(C)C=CC=CC12.
What is the InChIKey of N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is PJUQBNUTVIQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-55(2)50-37-42(26-31-49(50)56(3)34-13-12-23-54(55)56)41-28-33-53-48(36-41)47-35-40(27-32-52(47)58(53)44-19-8-5-9-20-44)38-24-29-45(30-25-38)57(43-17-6-4-7-18-43)51-22-14-16-39-15-10-11-21-46(39)51/h4-37,54H,1-3H3.
What are the key properties of N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 744.98 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 148917244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).