N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine

C67H44N2 — CID 174306393

IUPACN-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2cc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc2n3-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C67H44N2/c1-5-22-45(23-6-1)57-42-46-24-14-16-33-53(46)66-64(57)58-44-51(40-41-61(58)69(66)63-43-47-25-13-15-32-52(47)54-34-17-18-35-55(54)63)68(50-30-11-4-12-31-50)62-39-21-38-60-65(62)56-36-19-20-37-59(56)67(60,48-26-7-2-8-27-48)49-28-9-3-10-29-49/h1-44H
InChIKeyBNITVYYYGUPTOD-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.74
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine

N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine (PubChem CID 174306393) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine
PubChem CID174306393
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2c2cc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc2n3-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C67H44N2/c1-5-22-45(23-6-1)57-42-46-24-14-16-33-53(46)66-64(57)58-44-51(40-41-61(58)69(66)63-43-47-25-13-15-32-52(47)54-34-17-18-35-55(54)63)68(50-30-11-4-12-31-50)62-39-21-38-60-65(62)56-36-19-20-37-59(56)67(60,48-26-7-2-8-27-48)49-28-9-3-10-29-49/h1-44H
InChIKeyBNITVYYYGUPTOD-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine
CID 174306994
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
CID 135168573
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 174277156
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
CID 174306819
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118103067

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine (CID 174306393) is N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine is c1ccc(-c2cc3ccccc3c3c2c2cc(N(c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc2n3-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine?
The InChIKey is BNITVYYYGUPTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-5-22-45(23-6-1)57-42-46-24-14-16-33-53(46)66-64(57)58-44-51(40-41-61(58)69(66)63-43-47-25-13-15-32-52(47)54-34-17-18-35-55(54)63)68(50-30-11-4-12-31-50)62-39-21-38-60-65(62)56-36-19-20-37-59(56)67(60,48-26-7-2-8-27-48)49-28-9-3-10-29-49/h1-44H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine?
N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine has a molecular weight of 877.10 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine is sourced from PubChem (CID 174306393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).