N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

C74H48N2O2 — CID 146658906

IUPACN-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)ccc32)=C1
InChIInChI=1S/C74H48N2O2/c1-2-18-49(19-3-1)76-67-29-13-6-22-57(67)58-44-48(36-43-68(58)76)47-34-37-50(38-35-47)75(51-39-41-55-53-20-4-7-23-59(53)73(65(55)45-51)61-25-9-14-30-69(61)77-70-31-15-10-26-62(70)73)52-40-42-56-54-21-5-8-24-60(54)74(66(56)46-52)63-27-11-16-32-71(63)78-72-33-17-12-28-64(72)74/h1-2,4-18,20-46H,3,19H2
InChIKeyRMJXYHHPIXNLTM-UHFFFAOYSA-N
MW997.21 g/mol
LogP19.06
Rot. Bonds5

About N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 146658906) has the molecular formula C74H48N2O2 and a molecular weight of 997.21 g/mol. Its IUPAC name is N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID146658906
Molecular FormulaC74H48N2O2
Molecular Weight997.21 g/mol
Exact Mass996.37
IUPAC NameN-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)ccc32)=C1
InChIInChI=1S/C74H48N2O2/c1-2-18-49(19-3-1)76-67-29-13-6-22-57(67)58-44-48(36-43-68(58)76)47-34-37-50(38-35-47)75(51-39-41-55-53-20-4-7-23-59(53)73(65(55)45-51)61-25-9-14-30-69(61)77-70-31-15-10-26-62(70)73)52-40-42-56-54-21-5-8-24-60(54)74(66(56)46-52)63-27-11-16-32-71(63)78-72-33-17-12-28-64(72)74/h1-2,4-18,20-46H,3,19H2
InChIKeyRMJXYHHPIXNLTM-UHFFFAOYSA-N
XLogP19.06
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.21
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine with MolForge

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Related Compounds

N-[4-(9-cyclohexa-1,3-dien-1-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 145321954
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
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-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784
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
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 146658906) is N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is C1=CCCC(n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)ccc32)=C1.
What is the InChIKey of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is RMJXYHHPIXNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O2/c1-2-18-49(19-3-1)76-67-29-13-6-22-57(67)58-44-48(36-43-68(58)76)47-34-37-50(38-35-47)75(51-39-41-55-53-20-4-7-23-59(53)73(65(55)45-51)61-25-9-14-30-69(61)77-70-31-15-10-26-62(70)73)52-40-42-56-54-21-5-8-24-60(54)74(66(56)46-52)63-27-11-16-32-71(63)78-72-33-17-12-28-64(72)74/h1-2,4-18,20-46H,3,19H2.
What are the key properties of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 997.21 g/mol, XLogP of 19.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 146658906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).