N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine

C53H39N3 — CID 121343400

IUPACN-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine
SMILESCC1C=CC=C2C1c1cc(-c3ccc(Nc4cccc5ccccc45)c(-c4ccc5[nH]c6ccccc6c5c4)c3)ccc1N2c1cccc(-c2ccccc2)c1
InChIInChI=1S/C53H39N3/c1-34-12-9-23-52-53(34)46-32-39(26-29-51(46)56(52)41-18-10-17-37(30-41)35-13-3-2-4-14-35)38-24-27-49(54-47-22-11-16-36-15-5-6-19-42(36)47)44(31-38)40-25-28-50-45(33-40)43-20-7-8-21-48(43)55-50/h2-34,53-55H,1H3
InChIKeyPQQRBIZSZAKHQZ-UHFFFAOYSA-N
MW717.92 g/mol
LogP14.54
Rot. Bonds6

About N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine

N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine (PubChem CID 121343400) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine
PubChem CID121343400
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC NameN-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine
SMILESCC1C=CC=C2C1c1cc(-c3ccc(Nc4cccc5ccccc45)c(-c4ccc5[nH]c6ccccc6c5c4)c3)ccc1N2c1cccc(-c2ccccc2)c1
InChIInChI=1S/C53H39N3/c1-34-12-9-23-52-53(34)46-32-39(26-29-51(46)56(52)41-18-10-17-37(30-41)35-13-3-2-4-14-35)38-24-27-49(54-47-22-11-16-36-15-5-6-19-42(36)47)44(31-38)40-25-28-50-45(33-40)43-20-7-8-21-48(43)55-50/h2-34,53-55H,1H3
InChIKeyPQQRBIZSZAKHQZ-UHFFFAOYSA-N
XLogP14.54
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 514.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine (CID 121343400) is N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine is CC1C=CC=C2C1c1cc(-c3ccc(Nc4cccc5ccccc45)c(-c4ccc5[nH]c6ccccc6c5c4)c3)ccc1N2c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine?
The InChIKey is PQQRBIZSZAKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3/c1-34-12-9-23-52-53(34)46-32-39(26-29-51(46)56(52)41-18-10-17-37(30-41)35-13-3-2-4-14-35)38-24-27-49(54-47-22-11-16-36-15-5-6-19-42(36)47)44(31-38)40-25-28-50-45(33-40)43-20-7-8-21-48(43)55-50/h2-34,53-55H,1H3.
What are the key properties of N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine?
N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine has a molecular weight of 717.92 g/mol, XLogP of 14.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9H-carbazol-3-yl)-4-[5-methyl-9-(3-phenylphenyl)-4b,5-dihydrocarbazol-3-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 121343400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).