N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C84H56N2 — CID 167214797

IUPACN-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC(C2(c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)ccc3n4-c3ccccc3)c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C84H56N2/c1-3-22-59(23-4-1)83(75-33-14-9-27-67(75)68-28-10-15-34-76(68)83)60-43-51-82-74(53-60)73-52-58(42-50-81(73)86(82)61-24-5-2-6-25-61)55-38-44-62(45-39-55)85(63-46-40-57(41-47-63)66-32-19-21-56-20-7-8-26-65(56)66)64-48-49-72-71-31-13-18-37-79(71)84(80(72)54-64)77-35-16-11-29-69(77)70-30-12-17-36-78(70)84/h2-3,5-54H,1,4H2
InChIKeyUMUQPWMDQMZLHS-UHFFFAOYSA-N
MW1093.39 g/mol
LogP21.68
Rot. Bonds8

About N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167214797) has the molecular formula C84H56N2 and a molecular weight of 1093.39 g/mol. Its IUPAC name is N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID167214797
Molecular FormulaC84H56N2
Molecular Weight1093.39 g/mol
Exact Mass1092.44
IUPAC NameN-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC(C2(c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)ccc3n4-c3ccccc3)c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C84H56N2/c1-3-22-59(23-4-1)83(75-33-14-9-27-67(75)68-28-10-15-34-76(68)83)60-43-51-82-74(53-60)73-52-58(42-50-81(73)86(82)61-24-5-2-6-25-61)55-38-44-62(45-39-55)85(63-46-40-57(41-47-63)66-32-19-21-56-20-7-8-26-65(56)66)64-48-49-72-71-31-13-18-37-79(71)84(80(72)54-64)77-35-16-11-29-69(77)70-30-12-17-36-78(70)84/h2-3,5-54H,1,4H2
InChIKeyUMUQPWMDQMZLHS-UHFFFAOYSA-N
XLogP21.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.39
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214979
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
9-cyclohexa-1,5-dien-1-yl-N,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 131993890
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
9-cyclohexa-1,5-dien-1-yl-N-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144907545
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214691
9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159629958
9,9-diethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 147008099
N-(3-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158769876
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 160503630

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 167214797) is N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is C1=CC(C2(c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)ccc3n4-c3ccccc3)c3ccccc3-c3ccccc32)=CCC1.
What is the InChIKey of N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UMUQPWMDQMZLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2/c1-3-22-59(23-4-1)83(75-33-14-9-27-67(75)68-28-10-15-34-76(68)83)60-43-51-82-74(53-60)73-52-58(42-50-81(73)86(82)61-24-5-2-6-25-61)55-38-44-62(45-39-55)85(63-46-40-57(41-47-63)66-32-19-21-56-20-7-8-26-65(56)66)64-48-49-72-71-31-13-18-37-79(71)84(80(72)54-64)77-35-16-11-29-69(77)70-30-12-17-36-78(70)84/h2-3,5-54H,1,4H2.
What are the key properties of N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1093.39 g/mol, XLogP of 21.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(9-cyclohexa-1,5-dien-1-ylfluoren-9-yl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167214797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).