N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine

C60H39N3 — CID 142474030

IUPACN-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C60H39N3/c1-3-15-42(16-4-1)61(46-35-36-51-49-21-8-7-19-47(49)48-20-9-10-22-50(48)55(51)39-46)44-31-27-40(28-32-44)41-29-33-45(34-30-41)63-56-25-13-11-23-52(56)53-37-38-58-59(60(53)63)54-24-12-14-26-57(54)62(58)43-17-5-2-6-18-43/h1-39H
InChIKeyOUFPNIKOVGDNKB-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.48
Rot. Bonds6

About N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine

N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine (PubChem CID 142474030) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
PubChem CID142474030
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC NameN-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C60H39N3/c1-3-15-42(16-4-1)61(46-35-36-51-49-21-8-7-19-47(49)48-20-9-10-22-50(48)55(51)39-46)44-31-27-40(28-32-44)41-29-33-45(34-30-41)63-56-25-13-11-23-52(56)53-37-38-58-59(60(53)63)54-24-12-14-26-57(54)62(58)43-17-5-2-6-18-43/h1-39H
InChIKeyOUFPNIKOVGDNKB-UHFFFAOYSA-N
XLogP16.48
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
CID 163777791
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
benzene;N-naphthalen-2-yl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]naphthalen-2-amine
CID 145273265
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
CID 170133412
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine (CID 142474030) is N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine?
The InChIKey is OUFPNIKOVGDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-15-42(16-4-1)61(46-35-36-51-49-21-8-7-19-47(49)48-20-9-10-22-50(48)55(51)39-46)44-31-27-40(28-32-44)41-29-33-45(34-30-41)63-56-25-13-11-23-52(56)53-37-38-58-59(60(53)63)54-24-12-14-26-57(54)62(58)43-17-5-2-6-18-43/h1-39H.
What are the key properties of N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine?
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine has a molecular weight of 801.99 g/mol, XLogP of 16.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 142474030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).