4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline

C68H46N2 — CID 137468935

IUPAC4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
SMILESc1ccc(-c2ccc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H46N2/c1-3-16-46(17-4-1)48-30-37-53(38-31-48)69(45-52-20-15-28-64-67(52)59-24-9-13-27-63(59)68(64)61-25-11-7-21-56(61)57-22-8-12-26-62(57)68)54-39-32-50(33-40-54)51-36-43-66-60(44-51)58-23-10-14-29-65(58)70(66)55-41-34-49(35-42-55)47-18-5-2-6-19-47/h1-44H,45H2
InChIKeyBXDFTZIZICDNNQ-UHFFFAOYSA-N
MW891.13 g/mol
LogP17.47
Rot. Bonds8

About 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline

4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline (PubChem CID 137468935) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
PubChem CID137468935
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC Name4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline
SMILESc1ccc(-c2ccc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H46N2/c1-3-16-46(17-4-1)48-30-37-53(38-31-48)69(45-52-20-15-28-64-67(52)59-24-9-13-27-63(59)68(64)61-25-11-7-21-56(61)57-22-8-12-26-62(57)68)54-39-32-50(33-40-54)51-36-43-66-60(44-51)58-23-10-14-29-65(58)70(66)55-41-34-49(35-42-55)47-18-5-2-6-19-47/h1-44H,45H2
InChIKeyBXDFTZIZICDNNQ-UHFFFAOYSA-N
XLogP17.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 146659255
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[(9,9-dimethylfluoren-1-yl)methyl]-9,9-dimethylfluoren-2-amine
CID 165167448
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167255296
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline (CID 137468935) is 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline is c1ccc(-c2ccc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline?
The InChIKey is BXDFTZIZICDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-3-16-46(17-4-1)48-30-37-53(38-31-48)69(45-52-20-15-28-64-67(52)59-24-9-13-27-63(59)68(64)61-25-11-7-21-56(61)57-22-8-12-26-62(57)68)54-39-32-50(33-40-54)51-36-43-66-60(44-51)58-23-10-14-29-65(58)70(66)55-41-34-49(35-42-55)47-18-5-2-6-19-47/h1-44H,45H2.
What are the key properties of 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline?
4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline has a molecular weight of 891.13 g/mol, XLogP of 17.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)aniline is sourced from PubChem (CID 137468935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).