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

C49H32N2 — CID 126538335

IUPACN,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(36-28-30-48-42(32-36)40-22-10-14-26-47(40)51(48)34-17-5-2-6-18-34)35-27-29-46-41(31-35)39-21-9-13-25-45(39)49(46)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-32H
InChIKeyWMSZPLURVMQHEY-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.60
Rot. Bonds4

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

N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine (PubChem CID 126538335) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
PubChem CID126538335
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC NameN,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(36-28-30-48-42(32-36)40-22-10-14-26-47(40)51(48)34-17-5-2-6-18-34)35-27-29-46-41(31-35)39-21-9-13-25-45(39)49(46)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-32H
InChIKeyWMSZPLURVMQHEY-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

9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
CID 168775000
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
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
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
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
CID 134451097
CID 134451097
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine (CID 126538335) is N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine?
The InChIKey is WMSZPLURVMQHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(36-28-30-48-42(32-36)40-22-10-14-26-47(40)51(48)34-17-5-2-6-18-34)35-27-29-46-41(31-35)39-21-9-13-25-45(39)49(46)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-32H.
What are the key properties of N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine?
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-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 N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine is sourced from PubChem (CID 126538335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).