N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine

C49H34N2 — CID 71249474

IUPACN-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
SMILESC1=C(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C49H34N2/c1-2-14-33(15-3-1)50(34-26-28-35(29-27-34)51-47-24-12-7-19-40(47)41-20-8-13-25-48(41)51)36-30-31-46-42(32-36)39-18-6-11-23-45(39)49(46)43-21-9-4-16-37(43)38-17-5-10-22-44(38)49/h1-26,28,30-32H,27,29H2
InChIKeyNVWJDBBYEGBDNX-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.49
Rot. Bonds4

About N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine

N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 71249474) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
PubChem CID71249474
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC NameN-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
SMILESC1=C(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)CCC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C49H34N2/c1-2-14-33(15-3-1)50(34-26-28-35(29-27-34)51-47-24-12-7-19-40(47)41-20-8-13-25-48(41)51)36-30-31-46-42(32-36)39-18-6-11-23-45(39)49(46)43-21-9-4-16-37(43)38-17-5-10-22-44(38)49/h1-26,28,30-32H,27,29H2
InChIKeyNVWJDBBYEGBDNX-UHFFFAOYSA-N
XLogP12.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
9-cyclohexa-1,3-dien-1-yl-N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)cyclohexa-1,3-dien-1-yl]-N-phenylcarbazol-2-amine
CID 146413776
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
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967
N,3,9-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-1-amine
CID 165155466
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 155483675
5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166895529
N-phenyl-N-(2-triphenylen-2-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]-3'-amine
CID 167177250
CID 134551739
CID 134551739

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine (CID 71249474) is N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine is C1=C(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)CCC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is NVWJDBBYEGBDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-2-14-33(15-3-1)50(34-26-28-35(29-27-34)51-47-24-12-7-19-40(47)41-20-8-13-25-48(41)51)36-30-31-46-42(32-36)39-18-6-11-23-45(39)49(46)43-21-9-4-16-37(43)38-17-5-10-22-44(38)49/h1-26,28,30-32H,27,29H2.
What are the key properties of N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine?
N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 650.83 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 71249474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).