N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

C54H36N2 — CID 58850657

IUPACN-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-3-17-38(18-4-1)53-45-24-9-11-26-47(45)54(48-27-12-10-25-46(48)53)39-30-32-41(33-31-39)55(50-29-15-19-37-16-7-8-22-43(37)50)42-34-35-52-49(36-42)44-23-13-14-28-51(44)56(52)40-20-5-2-6-21-40/h1-36H
InChIKeyHMXVKTQPEQLPOS-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (PubChem CID 58850657) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
PubChem CID58850657
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-3-17-38(18-4-1)53-45-24-9-11-26-47(45)54(48-27-12-10-25-46(48)53)39-30-32-41(33-31-39)55(50-29-15-19-37-16-7-8-22-43(37)50)42-34-35-52-49(36-42)44-23-13-14-28-51(44)56(52)40-20-5-2-6-21-40/h1-36H
InChIKeyHMXVKTQPEQLPOS-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 169065449
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-naphthalen-1-yl-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 59720491
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
[4-[4-[4-[[6-[4-[4-[4-(hydroxymethyl)-N-naphthalen-1-ylanilino]phenyl]-N-naphthalen-1-ylanilino]-9-phenylcarbazol-3-yl]-naphthalen-1-ylamino]phenyl]-N-naphthalen-1-ylanilino]phenyl]methanol
CID 147446176
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (CID 58850657) is N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
The InChIKey is HMXVKTQPEQLPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-17-38(18-4-1)53-45-24-9-11-26-47(45)54(48-27-12-10-25-46(48)53)39-30-32-41(33-31-39)55(50-29-15-19-37-16-7-8-22-43(37)50)42-34-35-52-49(36-42)44-23-13-14-28-51(44)56(52)40-20-5-2-6-21-40/h1-36H.
What are the key properties of N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58850657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).