N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine

C61H39N3O — CID 135140429

IUPACN-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C61H39N3O/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(44-34-36-48-46-20-7-11-26-54(46)63(57(48)38-44)42-18-5-2-6-19-42)45-35-37-52-59(39-45)65-58-29-14-10-24-51(58)61(52)50-23-9-13-28-56(50)64-55-27-12-8-21-47(55)49-22-15-25-53(61)60(49)64/h1-39H
InChIKeyASYZTCDDGSHWDZ-UHFFFAOYSA-N
MW830.00 g/mol
LogP15.82
Rot. Bonds5

About N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine

N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine (PubChem CID 135140429) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine
PubChem CID135140429
Molecular FormulaC61H39N3O
Molecular Weight830.00 g/mol
Exact Mass829.31
IUPAC NameN-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C61H39N3O/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(44-34-36-48-46-20-7-11-26-54(46)63(57(48)38-44)42-18-5-2-6-19-42)45-35-37-52-59(39-45)65-58-29-14-10-24-51(58)61(52)50-23-9-13-28-56(50)64-55-27-12-8-21-47(55)49-22-15-25-53(61)60(49)64/h1-39H
InChIKeyASYZTCDDGSHWDZ-UHFFFAOYSA-N
XLogP15.82
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine with MolForge

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Related Compounds

N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline
CID 134351711
10'-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351751
N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]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'-thioxanthene]-3'-amine
CID 135140431
9,9-dimethyl-N-phenyl-N-(4-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'-xanthene]-3'-ylphenyl)fluoren-2-amine
CID 135140368
2'-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'-xanthene]
CID 135139924
N,N-diphenyl-4-[(13R)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-yl]aniline
CID 145314088
10',10'-dimethyl-N,N-bis(4-phenylphenyl)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'-anthracene]-2'-amine
CID 135140047
N-(4-phenylphenyl)-N-triphenylen-2-ylspiro[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 134309310
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'-xanthene]
CID 135140118
3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]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'-xanthene]
CID 142509888
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]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]-2'-amine
CID 135166416
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324

Frequently Asked Questions

What is the IUPAC name of N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
The IUPAC name of N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine (CID 135140429) is N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine.
What is the SMILES notation for N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
The canonical SMILES for N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
The InChIKey is ASYZTCDDGSHWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-3-16-40(17-4-1)41-30-32-43(33-31-41)62(44-34-36-48-46-20-7-11-26-54(46)63(57(48)38-44)42-18-5-2-6-19-42)45-35-37-52-59(39-45)65-58-29-14-10-24-51(58)61(52)50-23-9-13-28-56(50)64-55-27-12-8-21-47(55)49-22-15-25-53(61)60(49)64/h1-39H.
What are the key properties of N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine?
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine has a molecular weight of 830.00 g/mol, XLogP of 15.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)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'-xanthene]-3'-amine is sourced from PubChem (CID 135140429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).