N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C61H42N2 — CID 129311526

IUPACN-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)CC1
InChIInChI=1S/C61H42N2/c1-2-14-41(15-3-1)42-26-32-45(33-27-42)62(46-34-28-43(29-35-46)44-30-36-47(37-31-44)63-59-24-12-7-19-53(59)54-20-8-13-25-60(54)63)48-38-39-52-51-18-6-11-23-57(51)61(58(52)40-48)55-21-9-4-16-49(55)50-17-5-10-22-56(50)61/h1-7,9-19,21-40H,8,20H2
InChIKeyCZELXUUYDBJGBV-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.74
Rot. Bonds6

About N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 129311526) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID129311526
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC NameN-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)CC1
InChIInChI=1S/C61H42N2/c1-2-14-41(15-3-1)42-26-32-45(33-27-42)62(46-34-28-43(29-35-46)44-30-36-47(37-31-44)63-59-24-12-7-19-53(59)54-20-8-13-25-60(54)63)48-38-39-52-51-18-6-11-23-57(51)61(58(52)40-48)55-21-9-4-16-49(55)50-17-5-10-22-56(50)61/h1-7,9-19,21-40H,8,20H2
InChIKeyCZELXUUYDBJGBV-UHFFFAOYSA-N
XLogP15.74
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 ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 123271476
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
4,9-diphenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165155468
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 145067612

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 129311526) is N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is CZELXUUYDBJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-2-14-41(15-3-1)42-26-32-45(33-27-42)62(46-34-28-43(29-35-46)44-30-36-47(37-31-44)63-59-24-12-7-19-53(59)54-20-8-13-25-60(54)63)48-38-39-52-51-18-6-11-23-57(51)61(58(52)40-48)55-21-9-4-16-49(55)50-17-5-10-22-56(50)61/h1-7,9-19,21-40H,8,20H2.
What are the key properties of N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 803.02 g/mol, XLogP of 15.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 129311526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).