N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine

C61H42N2 — CID 129266485

IUPACN-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
SMILESC1=CC2C(C(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)=C1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C61H42N2/c1-3-19-41(20-4-1)42-37-39-44(40-38-42)63(55-33-15-10-25-47(55)48-28-17-35-57-59(48)50-27-11-16-34-56(50)62(57)43-21-5-2-6-22-43)58-36-18-32-54-60(58)49-26-9-14-31-53(49)61(54)51-29-12-7-23-45(51)46-24-8-13-30-52(46)61/h1-40,54,60H
InChIKeyXPOGOCMTIDUHAC-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.44
Rot. Bonds6

About N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine

N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine (PubChem CID 129266485) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine.

Molecular Properties

Compound NameN-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
PubChem CID129266485
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC NameN-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
SMILESC1=CC2C(C(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)=C1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C61H42N2/c1-3-19-41(20-4-1)42-37-39-44(40-38-42)63(55-33-15-10-25-47(55)48-28-17-35-57-59(48)50-27-11-16-34-56(50)62(57)43-21-5-2-6-22-43)58-36-18-32-54-60(58)49-26-9-14-31-53(49)61(54)51-29-12-7-23-45(51)46-24-8-13-30-52(46)61/h1-40,54,60H
InChIKeyXPOGOCMTIDUHAC-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(9-phenylcarbazol-4-yl)-N-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-1-ylcarbazol-3-amine
CID 163784791
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 177077839
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358604
2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847633
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
CID 158188643
CID 158188643
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 155138309

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The IUPAC name of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine (CID 129266485) is N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine.
What is the SMILES notation for N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The canonical SMILES for N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine is C1=CC2C(C(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)=C1)c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The InChIKey is XPOGOCMTIDUHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-3-19-41(20-4-1)42-37-39-44(40-38-42)63(55-33-15-10-25-47(55)48-28-17-35-57-59(48)50-27-11-16-34-56(50)62(57)43-21-5-2-6-22-43)58-36-18-32-54-60(58)49-26-9-14-31-53(49)61(54)51-29-12-7-23-45(51)46-24-8-13-30-52(46)61/h1-40,54,60H.
What are the key properties of N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine has a molecular weight of 803.02 g/mol, XLogP of 15.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine is sourced from PubChem (CID 129266485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).