N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine

C50H37N3 — CID 71248704

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccncc5)c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C50H37N3/c1-50(2)46-17-8-6-15-42(46)43-25-23-41(33-47(43)50)52(39-21-19-34(20-22-39)36-11-10-12-37(31-36)35-27-29-51-30-28-35)40-24-26-49-45(32-40)44-16-7-9-18-48(44)53(49)38-13-4-3-5-14-38/h3-33H,1-2H3
InChIKeyFVRQWOSKPNMBLN-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.29
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine (PubChem CID 71248704) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine
PubChem CID71248704
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccncc5)c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C50H37N3/c1-50(2)46-17-8-6-15-42(46)43-25-23-41(33-47(43)50)52(39-21-19-34(20-22-39)36-11-10-12-37(31-36)35-27-29-51-30-28-35)40-24-26-49-45(32-40)44-16-7-9-18-48(44)53(49)38-13-4-3-5-14-38/h3-33H,1-2H3
InChIKeyFVRQWOSKPNMBLN-UHFFFAOYSA-N
XLogP13.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 168771528
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
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-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 158303930
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine (CID 71248704) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccncc5)c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine?
The InChIKey is FVRQWOSKPNMBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-50(2)46-17-8-6-15-42(46)43-25-23-41(33-47(43)50)52(39-21-19-34(20-22-39)36-11-10-12-37(31-36)35-27-29-51-30-28-35)40-24-26-49-45(32-40)44-16-7-9-18-48(44)53(49)38-13-4-3-5-14-38/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine has a molecular weight of 679.87 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-pyridin-4-ylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 71248704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).