N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine

C49H36N2 — CID 165155424

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccccc3)cc21
InChIInChI=1S/C49H36N2/c1-49(2)44-23-13-11-21-39(44)40-28-27-38(30-45(40)49)50(37-26-25-33-15-9-10-18-35(33)29-37)47-32-43-41-22-12-14-24-46(41)51(36-19-7-4-8-20-36)48(43)31-42(47)34-16-5-3-6-17-34/h3-32H,1-2H3
InChIKeySWSXNMAIEZOVRS-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.38
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine (PubChem CID 165155424) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
PubChem CID165155424
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccccc3)cc21
InChIInChI=1S/C49H36N2/c1-49(2)44-23-13-11-21-39(44)40-28-27-38(30-45(40)49)50(37-26-25-33-15-9-10-18-35(33)29-37)47-32-43-41-22-12-14-24-46(41)51(36-19-7-4-8-20-36)48(43)31-42(47)34-16-5-3-6-17-34/h3-32H,1-2H3
InChIKeySWSXNMAIEZOVRS-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155346
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-1,9-diphenylcarbazol-4-amine
CID 165155491
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-1,9-diphenylcarbazol-2-amine
CID 165155385
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 118289290
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159884848
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-phenyl-4-(3-phenylphenyl)carbazol-3-amine
CID 165155399
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine (CID 165155424) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?
The InChIKey is SWSXNMAIEZOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)44-23-13-11-21-39(44)40-28-27-38(30-45(40)49)50(37-26-25-33-15-9-10-18-35(33)29-37)47-32-43-41-22-12-14-24-46(41)51(36-19-7-4-8-20-36)48(43)31-42(47)34-16-5-3-6-17-34/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine has a molecular weight of 652.84 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 165155424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).