N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C49H32N2 — CID 71249287

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(Nc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c21
InChIInChI=1S/C49H32N2/c1-6-18-42-36(12-1)37-13-2-7-19-43(37)49(42)44-20-8-3-14-38(44)41-17-11-21-45(48(41)49)50-34-28-24-32(25-29-34)33-26-30-35(31-27-33)51-46-22-9-4-15-39(46)40-16-5-10-23-47(40)51/h1-31,50H
InChIKeyRTXCIUZCNVFYEU-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.54
Rot. Bonds4

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 71249287) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID71249287
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(Nc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c21
InChIInChI=1S/C49H32N2/c1-6-18-42-36(12-1)37-13-2-7-19-43(37)49(42)44-20-8-3-14-38(44)41-17-11-21-45(48(41)49)50-34-28-24-32(25-29-34)33-26-30-35(31-27-33)51-46-22-9-4-15-39(46)40-16-5-10-23-47(40)51/h1-31,50H
InChIKeyRTXCIUZCNVFYEU-UHFFFAOYSA-N
XLogP12.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 139568438
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline
CID 166895085
1'-(4-carbazol-9-ylphenyl)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]
CID 135293779
10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 163465836
N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59372431
N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 123256418
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
CID 118033701
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-ylphenyl)carbazole
CID 134528204

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 71249287) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(Nc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c21.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is RTXCIUZCNVFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-6-18-42-36(12-1)37-13-2-7-19-43(37)49(42)44-20-8-3-14-38(44)41-17-11-21-45(48(41)49)50-34-28-24-32(25-29-34)33-26-30-35(31-27-33)51-46-22-9-4-15-39(46)40-16-5-10-23-47(40)51/h1-31,50H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 648.81 g/mol, XLogP of 12.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 71249287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).