N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline

C61H42N2 — CID 118682510

IUPACN-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)cc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)62(49-23-11-4-12-24-49)51-36-31-45(32-37-51)46-33-39-56-55-26-14-16-28-59(55)63(60(56)41-46)52-38-40-54-53-25-13-15-27-57(53)61(58(54)42-52,47-19-7-2-8-20-47)48-21-9-3-10-22-48/h1-42H
InChIKeyDMOHOTKWIBQRRV-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.95
Rot. Bonds8

About N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline

N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline (PubChem CID 118682510) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
PubChem CID118682510
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC NameN-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)cc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)62(49-23-11-4-12-24-49)51-36-31-45(32-37-51)46-33-39-56-55-26-14-16-28-59(55)63(60(56)41-46)52-38-40-54-53-25-13-15-27-57(53)61(58(54)42-52,47-19-7-2-8-20-47)48-21-9-3-10-22-48/h1-42H
InChIKeyDMOHOTKWIBQRRV-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 160912599
N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337165
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline (CID 118682510) is N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is DMOHOTKWIBQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)62(49-23-11-4-12-24-49)51-36-31-45(32-37-51)46-33-39-56-55-26-14-16-28-59(55)63(60(56)41-46)52-38-40-54-53-25-13-15-27-57(53)61(58(54)42-52,47-19-7-2-8-20-47)48-21-9-3-10-22-48/h1-42H.
What are the key properties of N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline?
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 803.02 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118682510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).