N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine

C78H56FN3 — CID 58161305

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(F)cc7)c6c6ccccc56)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C78H56FN3/c1-77(2)68-30-18-16-27-59(68)61-41-37-56(46-70(61)77)80(55-39-43-73-66(45-55)63-28-17-19-31-72(63)81(73)53-24-12-7-13-25-53)57-38-42-62-60-40-32-51(44-69(60)78(3,4)71(62)47-57)65-48-67-74(49-20-8-5-9-21-49)75(50-22-10-6-11-23-50)82(54-35-33-52(79)34-36-54)76(67)64-29-15-14-26-58(64)65/h5-48H,1-4H3
InChIKeyWVSUMHWKYNKXIF-UHFFFAOYSA-N
MW1054.33 g/mol
LogP21.10
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine (PubChem CID 58161305) has the molecular formula C78H56FN3 and a molecular weight of 1054.33 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
PubChem CID58161305
Molecular FormulaC78H56FN3
Molecular Weight1054.33 g/mol
Exact Mass1053.45
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(F)cc7)c6c6ccccc56)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C78H56FN3/c1-77(2)68-30-18-16-27-59(68)61-41-37-56(46-70(61)77)80(55-39-43-73-66(45-55)63-28-17-19-31-72(63)81(73)53-24-12-7-13-25-53)57-38-42-62-60-40-32-51(44-69(60)78(3,4)71(62)47-57)65-48-67-74(49-20-8-5-9-21-49)75(50-22-10-6-11-23-50)82(54-35-33-52(79)34-36-54)76(67)64-29-15-14-26-58(64)65/h5-48H,1-4H3
InChIKeyWVSUMHWKYNKXIF-UHFFFAOYSA-N
XLogP21.10
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.33
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine (CID 58161305) is N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(-c7ccccc7)c(-c7ccccc7)n(-c7ccc(F)cc7)c6c6ccccc56)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The InChIKey is WVSUMHWKYNKXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56FN3/c1-77(2)68-30-18-16-27-59(68)61-41-37-56(46-70(61)77)80(55-39-43-73-66(45-55)63-28-17-19-31-72(63)81(73)53-24-12-7-13-25-53)57-38-42-62-60-40-32-51(44-69(60)78(3,4)71(62)47-57)65-48-67-74(49-20-8-5-9-21-49)75(50-22-10-6-11-23-50)82(54-35-33-52(79)34-36-54)76(67)64-29-15-14-26-58(64)65/h5-48H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine has a molecular weight of 1054.33 g/mol, XLogP of 21.10, 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-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58161305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).