N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine

C68H44N4 — CID 59211203

IUPACN-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4ccc(-c5ccc6cnccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6cnccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C68H44N4/c1-2-10-55(11-3-1)71(56-30-32-57(33-31-56)72-65-16-8-6-12-59(65)60-13-7-9-17-66(60)72)58-34-35-63-64(42-58)68(48-24-20-46(21-25-48)50-27-29-54-44-70-39-37-52(54)41-50)62-15-5-4-14-61(62)67(63)47-22-18-45(19-23-47)49-26-28-53-43-69-38-36-51(53)40-49/h1-44H
InChIKeyBDYDJVHRTYQVKR-UHFFFAOYSA-N
MW917.13 g/mol
LogP18.32
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine

N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine (PubChem CID 59211203) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
PubChem CID59211203
Molecular FormulaC68H44N4
Molecular Weight917.13 g/mol
Exact Mass916.36
IUPAC NameN-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4ccc(-c5ccc6cnccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6cnccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C68H44N4/c1-2-10-55(11-3-1)71(56-30-32-57(33-31-56)72-65-16-8-6-12-59(65)60-13-7-9-17-66(60)72)58-34-35-63-64(42-58)68(48-24-20-46(21-25-48)50-27-29-54-44-70-39-37-52(54)41-50)62-15-5-4-14-61(62)67(63)47-22-18-45(19-23-47)49-26-28-53-43-69-38-36-51(53)40-49/h1-44H
InChIKeyBDYDJVHRTYQVKR-UHFFFAOYSA-N
XLogP18.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.13
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-1-amine;N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 159313208
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 59211188
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine
CID 58273881
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine (CID 59211203) is N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4ccc(-c5ccc6cnccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6cnccc6c5)cc4)c3c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine?
The InChIKey is BDYDJVHRTYQVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-2-10-55(11-3-1)71(56-30-32-57(33-31-56)72-65-16-8-6-12-59(65)60-13-7-9-17-66(60)72)58-34-35-63-64(42-58)68(48-24-20-46(21-25-48)50-27-29-54-44-70-39-37-52(54)41-50)62-15-5-4-14-61(62)67(63)47-22-18-45(19-23-47)49-26-28-53-43-69-38-36-51(53)40-49/h1-44H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine?
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine has a molecular weight of 917.13 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine is sourced from PubChem (CID 59211203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).