N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C72H53FN2 — CID 58131694

IUPACN-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c(-c4ccccc4)c(-c4ccccc4)n6-c4ccc(F)cc4)c4ccccc34)cc21
InChIInChI=1S/C72H53FN2/c1-71(2)63-27-17-16-25-57(63)58-39-37-54(43-65(58)71)74(52-33-28-47(29-34-52)46-18-8-5-9-19-46)67-41-40-55(56-24-14-15-26-60(56)67)50-30-38-59-61-44-62-68(45-66(61)72(3,4)64(59)42-50)75(53-35-31-51(73)32-36-53)70(49-22-12-7-13-23-49)69(62)48-20-10-6-11-21-48/h5-45H,1-4H3
InChIKeyMQWDZYBSURRLTB-UHFFFAOYSA-N
MW965.23 g/mol
LogP19.67
Rot. Bonds8

About N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 58131694) has the molecular formula C72H53FN2 and a molecular weight of 965.23 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID58131694
Molecular FormulaC72H53FN2
Molecular Weight965.23 g/mol
Exact Mass964.42
IUPAC NameN-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c(-c4ccccc4)c(-c4ccccc4)n6-c4ccc(F)cc4)c4ccccc34)cc21
InChIInChI=1S/C72H53FN2/c1-71(2)63-27-17-16-25-57(63)58-39-37-54(43-65(58)71)74(52-33-28-47(29-34-52)46-18-8-5-9-19-46)67-41-40-55(56-24-14-15-26-60(56)67)50-30-38-59-61-44-62-68(45-66(61)72(3,4)64(59)42-50)75(53-35-31-51(73)32-36-53)70(49-22-12-7-13-23-49)69(62)48-20-10-6-11-21-48/h5-45H,1-4H3
InChIKeyMQWDZYBSURRLTB-UHFFFAOYSA-N
XLogP19.67
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.23
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 58131694) is N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c(-c4ccccc4)c(-c4ccccc4)n6-c4ccc(F)cc4)c4ccccc34)cc21.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MQWDZYBSURRLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53FN2/c1-71(2)63-27-17-16-25-57(63)58-39-37-54(43-65(58)71)74(52-33-28-47(29-34-52)46-18-8-5-9-19-46)67-41-40-55(56-24-14-15-26-60(56)67)50-30-38-59-61-44-62-68(45-66(61)72(3,4)64(59)42-50)75(53-35-31-51(73)32-36-53)70(49-22-12-7-13-23-49)69(62)48-20-10-6-11-21-48/h5-45H,1-4H3.
What are the key properties of N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 965.23 g/mol, XLogP of 19.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58131694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).