3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

C82H56N4O2 — CID 163932776

IUPAC3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

SMILESCc1ccccc1N(c1c(C)ccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(C6=CC=CCC6)c4n2c13)c1cccc2c3c(N(c4ccccc4C)c4c(C)ccc6c4oc4ccccc46)cccc3n5c21

InChIInChI=1S/C82H56N4O2/c1-47-23-11-15-35-61(47)83(75-49(3)43-45-55-53-29-13-17-41-67(53)87-81(55)75)63-37-21-39-65-71(63)57-31-19-33-59-73-70(52-27-9-6-10-28-52)80-74(69(51-25-7-5-8-26-51)79(73)85(65)77(57)59)60-34-20-32-58-72-64(38-22-40-66(72)86(80)78(58)60)84(62-36-16-12-24-48(62)2)76-50(4)44-46-56-54-30-14-18-42-68(54)88-82(56)76/h5-9,11-27,29-46H,10,28H2,1-4H3

InChIKeyRKCJOMCQEPFCPQ-UHFFFAOYSA-N

MW1129.38 g/mol

LogP23.36

Rot. Bonds8

About 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (PubChem CID 163932776) has the molecular formula C82H56N4O2 and a molecular weight of 1129.38 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

Molecular Properties

Compound Name	3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
PubChem CID	163932776
Molecular Formula	C82H56N4O2
Molecular Weight	1129.38 g/mol
Exact Mass	1128.44
IUPAC Name	3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
SMILES	Cc1ccccc1N(c1c(C)ccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(C6=CC=CCC6)c4n2c13)c1cccc2c3c(N(c4ccccc4C)c4c(C)ccc6c4oc4ccccc46)cccc3n5c21
InChI	InChI=1S/C82H56N4O2/c1-47-23-11-15-35-61(47)83(75-49(3)43-45-55-53-29-13-17-41-67(53)87-81(55)75)63-37-21-39-65-71(63)57-31-19-33-59-73-70(52-27-9-6-10-28-52)80-74(69(51-25-7-5-8-26-51)79(73)85(65)77(57)59)60-34-20-32-58-72-64(38-22-40-66(72)86(80)78(58)60)84(62-36-16-12-24-48(62)2)76-50(4)44-46-56-54-30-14-18-42-68(54)88-82(56)76/h5-9,11-27,29-46H,10,28H2,1-4H3
InChIKey	RKCJOMCQEPFCPQ-UHFFFAOYSA-N
XLogP	23.36
TPSA	41.58 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	88
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.38
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (CID 163932776) is 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is Cc1ccccc1N(c1c(C)ccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(C6=CC=CCC6)c4n2c13)c1cccc2c3c(N(c4ccccc4C)c4c(C)ccc6c4oc4ccccc46)cccc3n5c21.

What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The InChIKey is RKCJOMCQEPFCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N4O2/c1-47-23-11-15-35-61(47)83(75-49(3)43-45-55-53-29-13-17-41-67(53)87-81(55)75)63-37-21-39-65-71(63)57-31-19-33-59-73-70(52-27-9-6-10-28-52)80-74(69(51-25-7-5-8-26-51)79(73)85(65)77(57)59)60-34-20-32-58-72-64(38-22-40-66(72)86(80)78(58)60)84(62-36-16-12-24-48(62)2)76-50(4)44-46-56-54-30-14-18-42-68(54)88-82(56)76/h5-9,11-27,29-46H,10,28H2,1-4H3.

What are the key properties of 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

Where does this data come from?

All data for 3-cyclohexa-1,3-dien-1-yl-10-N,25-N-bis(3-methyldibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-18-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is sourced from PubChem (CID 163932776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).