5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine

C66H44BN5 — CID 168759776

IUPAC5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2n3-c2ccccc2B4n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1
InChIInChI=1S/C66H44BN5/c1-6-22-45(23-7-1)68(46-24-8-2-9-25-46)50-38-40-60-55(42-50)56-43-51(69(47-26-10-3-11-27-47)48-28-12-4-13-29-48)44-58-65(56)71(60)62-37-21-18-34-57(62)67(58)72-61-36-20-16-32-52(61)53-39-41-63-64(66(53)72)54-33-17-19-35-59(54)70(63)49-30-14-5-15-31-49/h1-44H
InChIKeyGNTAMSGGIOWBAN-UHFFFAOYSA-N
MW917.93 g/mol
LogP15.90
Rot. Bonds8

About 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine

5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine (PubChem CID 168759776) has the molecular formula C66H44BN5 and a molecular weight of 917.93 g/mol. Its IUPAC name is 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine.

Molecular Properties

Compound Name5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
PubChem CID168759776
Molecular FormulaC66H44BN5
Molecular Weight917.93 g/mol
Exact Mass917.37
IUPAC Name5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2n3-c2ccccc2B4n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1
InChIInChI=1S/C66H44BN5/c1-6-22-45(23-7-1)68(46-24-8-2-9-25-46)50-38-40-60-55(42-50)56-43-51(69(47-26-10-3-11-27-47)48-28-12-4-13-29-48)44-58-65(56)71(60)62-37-21-18-34-57(62)67(58)72-61-36-20-16-32-52(61)53-39-41-63-64(66(53)72)54-33-17-19-35-59(54)70(63)49-30-14-5-15-31-49/h1-44H
InChIKeyGNTAMSGGIOWBAN-UHFFFAOYSA-N
XLogP15.90
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.93
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine with MolForge

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Related Compounds

5,10-diphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168759713
4-isocyano-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaene
CID 168759515
3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
CID 170133412
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene
CID 168759740
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
4,11-diphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168759373
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
CID 142474030
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine?
The IUPAC name of 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine (CID 168759776) is 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine.
What is the SMILES notation for 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine?
The canonical SMILES for 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2n3-c2ccccc2B4n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1.
What is the InChIKey of 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine?
The InChIKey is GNTAMSGGIOWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44BN5/c1-6-22-45(23-7-1)68(46-24-8-2-9-25-46)50-38-40-60-55(42-50)56-43-51(69(47-26-10-3-11-27-47)48-28-12-4-13-29-48)44-58-65(56)71(60)62-37-21-18-34-57(62)67(58)72-61-36-20-16-32-52(61)53-39-41-63-64(66(53)72)54-33-17-19-35-59(54)70(63)49-30-14-5-15-31-49/h1-44H.
What are the key properties of 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine?
5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine has a molecular weight of 917.93 g/mol, XLogP of 15.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine is sourced from PubChem (CID 168759776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).