2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine

C49H32N2 — CID 121423941

IUPAC2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)35-28-30-45-42(31-35)38-20-8-12-24-44(38)49(45)43-23-11-7-19-37(43)39-29-27-36(32-46(39)49)51-47-25-13-9-21-40(47)41-22-10-14-26-48(41)51/h1-32H
InChIKeyKUPIENKJKFCCEQ-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.60
Rot. Bonds4

About 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine

2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 121423941) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound Name2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
PubChem CID121423941
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)35-28-30-45-42(31-35)38-20-8-12-24-44(38)49(45)43-23-11-7-19-37(43)39-29-27-36(32-46(39)49)51-47-25-13-9-21-40(47)41-22-10-14-26-48(41)51/h1-32H
InChIKeyKUPIENKJKFCCEQ-UHFFFAOYSA-N
XLogP12.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
CID 153308687
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121423893
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
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
9-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170690174
N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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 134309232
N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337165

Frequently Asked Questions

What is the IUPAC name of 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine (CID 121423941) is 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.
What is the InChIKey of 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is KUPIENKJKFCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(34-17-5-2-6-18-34)35-28-30-45-42(31-35)38-20-8-12-24-44(38)49(45)43-23-11-7-19-37(43)39-29-27-36(32-46(39)49)51-47-25-13-9-21-40(47)41-22-10-14-26-48(41)51/h1-32H.
What are the key properties of 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine?
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 648.81 g/mol, XLogP of 12.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 121423941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).