3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole

C61H38N2O — CID 146759591

IUPAC3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C61H38N2O/c1-2-15-42(16-3-1)62-54-25-10-5-17-45(54)48-37-40(31-35-56(48)62)41-32-36-57-49(38-41)46-18-6-11-26-55(46)63(57)43-33-29-39(30-34-43)44-20-14-24-53-60(44)47-19-4-7-21-50(47)61(53)51-22-8-12-27-58(51)64-59-28-13-9-23-52(59)61/h1-38H
InChIKeyRPDTWSGKSSEKNN-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.68
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole (PubChem CID 146759591) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
PubChem CID146759591
Molecular FormulaC61H38N2O
Molecular Weight814.99 g/mol
Exact Mass814.30
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C61H38N2O/c1-2-15-42(16-3-1)62-54-25-10-5-17-45(54)48-37-40(31-35-56(48)62)41-32-36-57-49(38-41)46-18-6-11-26-55(46)63(57)43-33-29-39(30-34-43)44-20-14-24-53-60(44)47-19-4-7-21-50(47)61(53)51-22-8-12-27-58(51)64-59-28-13-9-23-52(59)61/h1-38H
InChIKeyRPDTWSGKSSEKNN-UHFFFAOYSA-N
XLogP15.68
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
CID 90154111
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(spiro[fluorene-9,9'-xanthene]-4-ylmethyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 146659255
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole (CID 146759591) is 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole?
The InChIKey is RPDTWSGKSSEKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-2-15-42(16-3-1)62-54-25-10-5-17-45(54)48-37-40(31-35-56(48)62)41-32-36-57-49(38-41)46-18-6-11-26-55(46)63(57)43-33-29-39(30-34-43)44-20-14-24-53-60(44)47-19-4-7-21-50(47)61(53)51-22-8-12-27-58(51)64-59-28-13-9-23-52(59)61/h1-38H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole is sourced from PubChem (CID 146759591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).