N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine

C74H50N2 — CID 121423814

IUPACN-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C74H50N2/c1-6-23-53(24-7-1)73(54-25-8-2-9-26-54)65-36-19-16-33-60(65)63-50-59(46-47-67(63)73)75(58-44-41-51(42-45-58)52-43-48-70-64(49-52)61-34-18-21-39-69(61)76(70)57-31-14-5-15-32-57)71-40-22-38-68-72(71)62-35-17-20-37-66(62)74(68,55-27-10-3-11-28-55)56-29-12-4-13-30-56/h1-50H
InChIKeyKNHFOBAOZNBZBB-UHFFFAOYSA-N
MW967.23 g/mol
LogP18.65
Rot. Bonds9

About N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine

N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine (PubChem CID 121423814) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
PubChem CID121423814
Molecular FormulaC74H50N2
Molecular Weight967.23 g/mol
Exact Mass966.40
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C74H50N2/c1-6-23-53(24-7-1)73(54-25-8-2-9-26-54)65-36-19-16-33-60(65)63-50-59(46-47-67(63)73)75(58-44-41-51(42-45-58)52-43-48-70-64(49-52)61-34-18-21-39-69(61)76(70)57-31-14-5-15-32-57)71-40-22-38-68-72(71)62-35-17-20-37-66(62)74(68,55-27-10-3-11-28-55)56-29-12-4-13-30-56/h1-50H
InChIKeyKNHFOBAOZNBZBB-UHFFFAOYSA-N
XLogP18.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.23
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 158465286
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[9-phenyl-3-[9-[4-[4-(9-phenylfluoren-9-yl)-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylanilino]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135180576
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 157239139
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
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-phenyl-8-(9-phenylcarbazol-3-yl)dibenzofuran-3-amine
CID 129180885
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine (CID 121423814) is N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The InChIKey is KNHFOBAOZNBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-6-23-53(24-7-1)73(54-25-8-2-9-26-54)65-36-19-16-33-60(65)63-50-59(46-47-67(63)73)75(58-44-41-51(42-45-58)52-43-48-70-64(49-52)61-34-18-21-39-69(61)76(70)57-31-14-5-15-32-57)71-40-22-38-68-72(71)62-35-17-20-37-66(62)74(68,55-27-10-3-11-28-55)56-29-12-4-13-30-56/h1-50H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine has a molecular weight of 967.23 g/mol, XLogP of 18.65, 9 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)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 121423814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).