N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine

C68H44N2 — CID 121423436

IUPACN-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C68H44N2/c1-3-20-45(21-4-1)67(46-22-5-2-6-23-46)60-33-16-10-29-56(60)66-61(67)34-19-37-65(66)69(47-38-40-48(41-39-47)70-63-35-17-11-27-54(63)55-28-12-18-36-64(55)70)49-42-43-53-52-26-9-15-32-59(52)68(62(53)44-49)57-30-13-7-24-50(57)51-25-8-14-31-58(51)68/h1-44H
InChIKeyUBZABVPNLRFOLM-UHFFFAOYSA-N
MW889.11 g/mol
LogP16.96
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine

N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 121423436) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID121423436
Molecular FormulaC68H44N2
Molecular Weight889.11 g/mol
Exact Mass888.35
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C68H44N2/c1-3-20-45(21-4-1)67(46-22-5-2-6-23-46)60-33-16-10-29-56(60)66-61(67)34-19-37-65(66)69(47-38-40-48(41-39-47)70-63-35-17-11-27-54(63)55-28-12-18-36-64(55)70)49-42-43-53-52-26-9-15-32-59(52)68(62(53)44-49)57-30-13-7-24-50(57)51-25-8-14-31-58(51)68/h1-44H
InChIKeyUBZABVPNLRFOLM-UHFFFAOYSA-N
XLogP16.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)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]-2'-amine
CID 135168068
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
7-carbazol-9-yl-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 135193230
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-4-yl)-7,7-diphenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 161188931
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
N-(4-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790311
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159606680

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine (CID 121423436) is N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UBZABVPNLRFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-3-20-45(21-4-1)67(46-22-5-2-6-23-46)60-33-16-10-29-56(60)66-61(67)34-19-37-65(66)69(47-38-40-48(41-39-47)70-63-35-17-11-27-54(63)55-28-12-18-36-64(55)70)49-42-43-53-52-26-9-15-32-59(52)68(62(53)44-49)57-30-13-7-24-50(57)51-25-8-14-31-58(51)68/h1-44H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine?
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 889.11 g/mol, XLogP of 16.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 121423436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).