N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine

C60H42N2 — CID 89233993

IUPACN-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine
SMILESC1=CC2CC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=CC=C2C(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1
InChIInChI=1S/C60H42N2/c1-4-17-41(18-5-1)59-51-25-10-12-27-53(51)60(54-28-13-11-26-52(54)59)42-31-35-48(36-32-42)61(46-20-6-2-7-21-46)56-30-16-19-45-39-43(33-37-49(45)56)44-34-38-58-55(40-44)50-24-14-15-29-57(50)62(58)47-22-8-3-9-23-47/h1-38,40,45H,39H2
InChIKeyVUVOWDBBYDGXHR-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.05
Rot. Bonds7

About N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine

N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine (PubChem CID 89233993) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine
PubChem CID89233993
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine
SMILESC1=CC2CC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=CC=C2C(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1
InChIInChI=1S/C60H42N2/c1-4-17-41(18-5-1)59-51-25-10-12-27-53(51)60(54-28-13-11-26-52(54)59)42-31-35-48(36-32-42)61(46-20-6-2-7-21-46)56-30-16-19-45-39-43(33-37-49(45)56)44-34-38-58-55(40-44)50-24-14-15-29-57(50)62(58)47-22-8-3-9-23-47/h1-38,40,45H,39H2
InChIKeyVUVOWDBBYDGXHR-UHFFFAOYSA-N
XLogP16.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.05
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,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine (CID 89233993) is N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine is C1=CC2CC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)=CC=C2C(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1.
What is the InChIKey of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine?
The InChIKey is VUVOWDBBYDGXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-17-41(18-5-1)59-51-25-10-12-27-53(51)60(54-28-13-11-26-52(54)59)42-31-35-48(36-32-42)61(46-20-6-2-7-21-46)56-30-16-19-45-39-43(33-37-49(45)56)44-34-38-58-55(40-44)50-24-14-15-29-57(50)62(58)47-22-8-3-9-23-47/h1-38,40,45H,39H2.
What are the key properties of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine?
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine has a molecular weight of 791.01 g/mol, XLogP of 16.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine is sourced from PubChem (CID 89233993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).