N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine

C69H48FN3 — CID 58161706

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(F)cc6)c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C69H48FN3/c1-69(2)62-27-14-12-23-56(62)57-39-37-53(44-63(57)69)71(52-38-42-65-61(43-52)58-24-13-15-28-64(58)72(65)49-21-10-5-11-22-49)50-33-29-45(30-34-50)54-25-16-26-59-55(54)40-41-60-66(46-17-6-3-7-18-46)67(47-19-8-4-9-20-47)73(68(59)60)51-35-31-48(70)32-36-51/h3-44H,1-2H3
InChIKeyNKXPUXWNZJSJDK-UHFFFAOYSA-N
MW938.16 g/mol
LogP18.80
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 58161706) has the molecular formula C69H48FN3 and a molecular weight of 938.16 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine
PubChem CID58161706
Molecular FormulaC69H48FN3
Molecular Weight938.16 g/mol
Exact Mass937.38
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(F)cc6)c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C69H48FN3/c1-69(2)62-27-14-12-23-56(62)57-39-37-53(44-63(57)69)71(52-38-42-65-61(43-52)58-24-13-15-28-64(58)72(65)49-21-10-5-11-22-49)50-33-29-45(30-34-50)54-25-16-26-59-55(54)40-41-60-66(46-17-6-3-7-18-46)67(47-19-8-4-9-20-47)73(68(59)60)51-35-31-48(70)32-36-51/h3-44H,1-2H3
InChIKeyNKXPUXWNZJSJDK-UHFFFAOYSA-N
XLogP18.80
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.16
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine (CID 58161706) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(F)cc6)c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is NKXPUXWNZJSJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48FN3/c1-69(2)62-27-14-12-23-56(62)57-39-37-53(44-63(57)69)71(52-38-42-65-61(43-52)58-24-13-15-28-64(58)72(65)49-21-10-5-11-22-49)50-33-29-45(30-34-50)54-25-16-26-59-55(54)40-41-60-66(46-17-6-3-7-18-46)67(47-19-8-4-9-20-47)73(68(59)60)51-35-31-48(70)32-36-51/h3-44H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 938.16 g/mol, XLogP of 18.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58161706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).